1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide

C24H37N3O3 — CID 55364403

IUPAC1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)N2CCCC2)cc1
InChIInChI=1S/C24H37N3O3/c1-24(2,3)23(29)27-15-11-19(12-16-27)22(28)25-17-21(26-13-5-6-14-26)18-7-9-20(30-4)10-8-18/h7-10,19,21H,5-6,11-17H2,1-4H3,(H,25,28)
InChIKeyIYWNPUALALVEEH-UHFFFAOYSA-N
MW415.58 g/mol
LogP3.23
Rot. Bonds6

About 1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide

1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide (PubChem CID 55364403) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
PubChem CID55364403
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
SMILESCOc1ccc(C(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)N2CCCC2)cc1
InChIInChI=1S/C24H37N3O3/c1-24(2,3)23(29)27-15-11-19(12-16-27)22(28)25-17-21(26-13-5-6-14-26)18-7-9-20(30-4)10-8-18/h7-10,19,21H,5-6,11-17H2,1-4H3,(H,25,28)
InChIKeyIYWNPUALALVEEH-UHFFFAOYSA-N
XLogP3.23
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.58
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55713124
1-(furan-2-carbonyl)-N-[(2S)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide
CID 41089696
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-2,2-dimethylpropanamide
CID 51173094
N-[2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]cyclohexanecarboxamide
CID 16811484
4-N-(2-hydroxyphenyl)-1-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-1,4-dicarboxamide
CID 17486442
N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]pyrrolidine-3-carboxamide
CID 119829732
methyl 1-[N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111253175
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 47101154
N-[2-[[N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide;hydroiodide
CID 111308827
methyl 4-[[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamoyl]benzoate
CID 51161556
cis-(1S,3R)-3-[[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122099543
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,3-thiazolidine-4-carboxamide
CID 119829592

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide (CID 55364403) is 1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide is COc1ccc(C(CNC(=O)C2CCN(C(=O)C(C)(C)C)CC2)N2CCCC2)cc1.
What is the InChIKey of 1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
The InChIKey is IYWNPUALALVEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-24(2,3)23(29)27-15-11-19(12-16-27)22(28)25-17-21(26-13-5-6-14-26)18-7-9-20(30-4)10-8-18/h7-10,19,21H,5-6,11-17H2,1-4H3,(H,25,28).
What are the key properties of 1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide?
1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide has a molecular weight of 415.58 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropanoyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55364403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).